N,N-diethylpiperidine-4-carboxamide

• ChemBase ID: 116051
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(N(CC)CC)C1CCNCC1
• Canonical SMILES: CCN(C(=O)C1CCNCC1)CC
• InChI: InChI=1S/C10H20N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h9,11H,3-8H2,1-2H3
• InChIKey: HLKAXMBNTHBWKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpiperidine-4-carboxamide
• IUPAC Traditional name: N,N-diethylpiperidine-4-carboxamide
• Synonyms: N,N-diethylpiperidine-4-carboxamide; N,N-diethylpiperidine-4-carboxamide hydrochloride

Database IDs

• CAS Number: 1903-67-9
• MDL Number: MFCD03372522; MFCD11615738
• PubChem SID: 162100876
• PubChem CID: 410920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9917138
• LogD (pH = 7.4): -2.4072778
• Log P: 0.2342576
• Molar Refractivity: 54.1881 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.382
• Hydrophobicity(logP): -0.132

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl